SCHEMBL4084059

SCHEMBL4084059

CC(=O)OCc1cccc2ccc(CO[C@H]3[C@@H]4OC[C@@H]3O[C@H]4n3ccc(=O)[nH]c3=O)cc12

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
B4GALT1 P15291 5/20 0.35
KDM4E B2RXH2 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
P2RY12 Q9H244 2/20 0.32
P2RY2 P41231 1/20 0.32
GSTA2 P09210 1/20 0.32
GSTP1 P09211 1/20 0.32
GSTM1 P09488 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
STING1 Q86WV6 1/20 0.31
SLC28A1 O00337 1/20 0.31
SLC28A2 O43868 1/20 0.31
SLC29A1 Q99808 1/20 0.31
SLC28A3 Q9HAS3 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4079078 0.90 B4GALT1 (0.36) B4GALT1P2RY12P2RY2STING1SLC28A1
SCHEMBL4078642 0.89 B4GALT1 (0.34) B4GALT1P2RY12P2RY2STING1
SCHEMBL4074795 0.84 MEN1 (0.33) B4GALT1P2RY12P2RY2MEN1KMT2A
SCHEMBL7707747 0.77 TDP1 (0.40) TDP1P2RY12P2RY2MEN1KMT2A
SCHEMBL7699861 0.65 TK1 (0.45)
SCHEMBL17198380 0.63 TDP1 (0.45) TDP1P2RY2SLC28A1SLC28A2SLC29A1
SCHEMBL15678124 0.63 SLC28A1 (0.44) P2RY2STING1SLC28A1SLC28A2SLC29A1
SCHEMBL30428170 0.62 SLC28A1 (0.51) TDP1P2RY12P2RY2SLC28A1SLC28A2
SCHEMBL17550556 0.62 DUT (0.40) TDP1P2RY2SLC28A1SLC28A2SLC29A1
SCHEMBL17198593 0.61 SLC28A1 (0.41) TDP1P2RY2SLC28A1SLC28A2SLC29A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7569686-B1 Compounds and methods for synthesis of bicyclic nucleic acid analogs ISIS PHARMACEUTICALS, INC. (US) 2009-08-04 US disclosed